3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; octyl(triphenyl)phosphanium

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; octyl(triphenyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; octyl(triphenyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; octyl(triphenyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; octyl(triphenyl)phosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; octyl(triphenyl)phosphonium Formula: C40H53O4PS MolecularWeight: 660.885181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C26H32P.C14H22O4S/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h7-15,17-22H,2-6,16,23H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1